1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide

C26H29N5O2 — CID 25121879

IUPAC1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2c(c1)c(=O)n(-c1ccccc1)n2C1CCCCC1
InChIInChI=1S/C26H29N5O2/c32-25(28-14-7-16-29-17-15-27-19-29)20-12-13-24-23(18-20)26(33)31(22-10-5-2-6-11-22)30(24)21-8-3-1-4-9-21/h2,5-6,10-13,15,17-19,21H,1,3-4,7-9,14,16H2,(H,28,32)
InChIKeyFWTDCUVTDILFDR-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.31
Rot. Bonds7

About 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide

1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide (PubChem CID 25121879) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide
PubChem CID25121879
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2c(c1)c(=O)n(-c1ccccc1)n2C1CCCCC1
InChIInChI=1S/C26H29N5O2/c32-25(28-14-7-16-29-17-15-27-19-29)20-12-13-24-23(18-20)26(33)31(22-10-5-2-6-11-22)30(24)21-8-3-1-4-9-21/h2,5-6,10-13,15,17-19,21H,1,3-4,7-9,14,16H2,(H,28,32)
InChIKeyFWTDCUVTDILFDR-UHFFFAOYSA-N
XLogP4.31
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide (CID 25121879) is 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide is O=C(NCCCn1ccnc1)c1ccc2c(c1)c(=O)n(-c1ccccc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide?
The InChIKey is FWTDCUVTDILFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c32-25(28-14-7-16-29-17-15-27-19-29)20-12-13-24-23(18-20)26(33)31(22-10-5-2-6-11-22)30(24)21-8-3-1-4-9-21/h2,5-6,10-13,15,17-19,21H,1,3-4,7-9,14,16H2,(H,28,32).
What are the key properties of 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide?
1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-3-oxo-2-phenylindazole-5-carboxamide is sourced from PubChem (CID 25121879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).